CID 3052356

Brn 0815344

Structural Information

Molecular Formula

C₁₅H₁₂N₂O₄

SMILES

CCOC1=CC2=C(C=C1)N=C3C=CC(=CN3C2=O)C(=O)O

InChI

InChI=1S/C15H12N2O4/c1-2-21-10-4-5-12-11(7-10)14(18)17-8-9(15(19)20)3-6-13(17)16-12/h3-8H,2H2,1H3,(H,19,20)

InChIKey

NHKSLAPMCOKBNF-UHFFFAOYSA-N

Compound name

2-ethoxy-11-oxopyrido[2,1-b]quinazoline-8-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4
Patents: 284.0797 Da
Monoisotopic Mass: 1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	285.08698	161.5
[M+Na]+	307.06892	177.5
[M+NH4]+	302.11352	168.4
[M+K]+	323.04286	170.9
[M-H]-	283.07242	162.8
[M+Na-2H]-	305.05437	167.7
[M]+	284.07915	164.1
[M]-	284.08025	164.1

Literature stripe

literature stripe

Patent stripe

patents stripe